(Q82881721)

English

9-(4-Hydroxy-3,5-dimethoxyphenyl)-8-oxo-5,5a,6,8,8a,9-hexahydro-2H-furo[3',4':6,7]naphtho[2,3-d][1,3]dioxol-5-yl 4,6-O-benzylidenehexopyranoside

group of stereoisomers with the chemical formula C₃₄H₃₄O₁₃

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instance of

group of stereoisomers

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subclass of

chemical compound

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mass

650.199941148 dalton

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based on heuristic

inferred from SMILES

chemical formula

C₃₄H₃₄O₁₃

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based on heuristic

inferred from SMILES

canonical SMILES

COc1cc(C2c3cc4c(cc3C(OC3OC5COC(c6ccccc6)OC5C(O)C3O)C3COC(=O)C23)OCO4)cc(OC)c1O

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based on heuristic

inferred from isomeric SMILES

isomeric SMILES

COc1cc([C@@H]2c3cc4c(cc3[C@H](O[C@@H]3OC5COC(c6ccccc6)O[C@H]5[C@H](O)[C@H]3O)[C@H]3COC(=O)[C@H]23)OCO4)cc(OC)c1O

1 reference

based on heuristic

inferred from InChI

Identifiers

InChI

InChI=1S/C34H34O13/c1-39-22-8-16(9-23(40-2)27(22)35)25-17-10-20-21(44-14-43-20)11-18(17)30(19-12-41-32(38)26(19)25)46-34-29(37)28(36)31-24(45-34)13-42-33(47-31)15-6-4-3-5-7-15/h3-11,19,24-26,28-31,33-37H,12-14H2,1-2H3/t19-,24?,25+,26-,28+,29+,30-,31+,33?,34-/m0/s1

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InChIKey

RHRMTILDFUYBOD-ZHPHRDAVSA-N

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1 reference

26 December 2021

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DSSTOX compound identifier

DTXCID201340609

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(Q82881721)

9-(4-Hydroxy-3,5-dimethoxyphenyl)-8-oxo-5,5a,6,8,8a,9-hexahydro-2H-furo[3',4':6,7]naphtho[2,3-d][1,3]dioxol-5-yl 4,6-O-benzylidenehexopyranoside

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